General Information of the Compound
| Compound ID |
CP0524806
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| Compound Name |
2,6-difluoro-N-[2-(methylamino)pyrazolo[1,5-a]pyrimidin-6-yl]-3-(propylsulfonylamino)benzamide
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| Structure |
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| Formula |
C17H18F2N6O3S
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| Molecular Weight |
424.433
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| Canonical SMILES |
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3cc(NC)nn3c2)c1F
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| InChI |
InChI=1S/C17H18F2N6O3S/c1-3-6-29(27,28)24-12-5-4-11(18)15(16(12)19)17(26)22-10-8-21-14-7-13(20-2)23-25(14)9-10/h4-5,7-9,24H,3,6H2,1-2H3,(H,20,23)(H,22,26)
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| InChIKey |
MDNOEIBIPFEJKS-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound